N-[4-methyl-3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)phenyl]-2-pyrrolidin-1-yl-isonicotinamide

HCID 11258289

基本情報

標準SMILES
Cc1ccc(NC(=O)c2ccnc(N3CCCC3)c2)cc1B1OC(C)(C)C(C)(C)O1
InChIKey
QXSQYQQZUNRHCG-UHFFFAOYSA-N
分子式
C23H30BN3O3
平均分子量
407.3 g/mol

名称と識別子

優先名称
N-[4-methyl-3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)phenyl]-2-pyrrolidin-1-yl-isonicotinamide
IUPAC
N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide

名称と別名

SCHEMBL3406043QXSQYQQZUNRHCG-UHFFFAOYSA-NN-[4-methyl-3-(4,4,5,5-tetramethyl-[1,3,2]-dioxaborolan-2-yl)phenyl]-2-(1-pyrrolidinyl)-4-pyridinecarboxamideN-[4-methyl-3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-2-pyrrolidin-1-yl-isonicotinamideN-[4-methyl-3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-2-pyrrolidin-1yl-isonicotinamideN-[4-methyl-3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)phenyl]-2-pyrrolidin-1-yl-isonicotinamideN-[4-methyl-3-(4,4,5,5-tetramethyl-[I ,3,2]-dioxaborolan-2-yl)phenyl]-2-(1-pyrrolidinyl)-4-pyridinecarboxamide

データベース識別子

PubChem CID
11258289

物性

構造計算による物性

極性表面積
63.7 Ų
水素結合供与体数
1
水素結合受容体数
5
回転可能結合数
4
重原子数
30

関連反応

15 件

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